N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide

C13H18F3N3O — CID 71974049

IUPACN-cyclohexyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide
SMILESO=C(c1ccn[nH]1)N(CCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)7-9-19(10-4-2-1-3-5-10)12(20)11-6-8-17-18-11/h6,8,10H,1-5,7,9H2,(H,17,18)
InChIKeyVUEFQZMWJSBYHB-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.14
Rot. Bonds4

About N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide

N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide (PubChem CID 71974049) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide
PubChem CID71974049
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-cyclohexyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide
SMILESO=C(c1ccn[nH]1)N(CCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)7-9-19(10-4-2-1-3-5-10)12(20)11-6-8-17-18-11/h6,8,10H,1-5,7,9H2,(H,17,18)
InChIKeyVUEFQZMWJSBYHB-UHFFFAOYSA-N
XLogP3.14
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide (CID 71974049) is N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide is O=C(c1ccn[nH]1)N(CCC(F)(F)F)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide?
The InChIKey is VUEFQZMWJSBYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c14-13(15,16)7-9-19(10-4-2-1-3-5-10)12(20)11-6-8-17-18-11/h6,8,10H,1-5,7,9H2,(H,17,18).
What are the key properties of N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide?
N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide has a molecular weight of 289.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71974049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).